SCHEMBL9826314

SCHEMBL9826314

COC(=O)COc1ccc(C(C)CN2CCOC(c3csc(C)n3)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
FKBP1A P62942 1/20 0.34
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP26A1 O43174 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX5 P09917 1/20 0.33
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
MAPT P10636 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9825661 0.92 SMN1; SMN2 (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL9825332 0.92 SMN1; SMN2 (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL9826859 0.91 ALDH1A1 (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL9825897 0.91 KMT2A (0.35) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL9826486 0.91 PIK3CA (0.38) MEN1KMT2ASMN1; SMN2ALDH1A1FKBP1A
SCHEMBL9825542 0.89 SMN1; SMN2 (0.37) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL9825754 0.89 ACACB (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL9825679 0.88 ALDH1A1 (0.36) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL9826243 0.86 ALDH1A1 (0.37) MEN1KMT2AALDH1A1LMNAMAPK1
SCHEMBL9825810 0.85 SMN1; SMN2 (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0239815-B1 SUBSTITUTED THIAZOLES AND OXAZOLES, MEDICINES CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1991-07-24 EP disclosed
EP-0239815-A1 Substituted thiazoles and oxazoles, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1987-10-07 EP disclosed